Mol:COX00075
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | 14592 | + | 14592 |
− | CDK 9/16/09,17:11 | + | CDK 9/16/09,17:11 |
− | + | ||
− | 39 40 0 0 0 0 0 0 0 0999 V2000 | + | 39 40 0 0 0 0 0 0 0 0999 V2000 |
− | 3.7321 1.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5411 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5411 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9230 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9230 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2321 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2321 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2321 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2321 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2690 0.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2690 0.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8511 1.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8511 1.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.1075 2.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1075 2.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3566 2.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3566 2.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6130 1.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6130 1.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8385 3.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8385 3.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1672 3.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1672 3.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2969 3.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2969 3.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6256 3.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6256 3.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1996 -0.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1996 -0.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.9966 -0.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9966 -0.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6540 0.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6540 0.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2554 -0.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2554 -0.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.8626 0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8626 0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0656 0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0656 0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.0201 -0.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0201 -0.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.8671 -0.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8671 -0.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.6401 0.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6401 0.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2690 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2690 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4631 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4631 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2690 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2690 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4631 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4631 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -3.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
1 2 1 0 0 0 0 | 1 2 1 0 0 0 0 | ||
1 3 1 0 0 0 0 | 1 3 1 0 0 0 0 | ||
Line 82: | Line 82: | ||
15 38 1 0 0 0 0 | 15 38 1 0 0 0 0 | ||
16 39 1 0 0 0 0 | 16 39 1 0 0 0 0 | ||
− | S SKP | + | S SKP 6 |
− | NAME Prolintane | + | NAME Prolintane |
+ | ID COX00075 | ||
+ | FORMULA C15H23N | ||
+ | EXACTMASS 217.183049741 | ||
+ | AVERAGEMASS 217.34986 | ||
+ | SMILES [H]C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])c(c([H])2)c([H])c([H])c([H])c([H])2)N(C([H])([H])1)C([H])([H])C([H])([H])C([H])([H])1 | ||
M END | M END |
Latest revision as of 20:47, 21 February 2011
14592 CDK 9/16/09,17:11 39 40 0 0 0 0 0 0 0 0999 V2000 3.7321 1.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 1.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1075 2.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 2.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 1.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 3.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 3.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2969 3.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6256 3.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -0.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 0.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 5 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 13 15 2 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 S SKP 6 NAME Prolintane ID COX00075 FORMULA C15H23N EXACTMASS 217.183049741 AVERAGEMASS 217.34986 SMILES [H]C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])c(c([H])2)c([H])c([H])c([H])c([H])2)N(C([H])([H])1)C([H])([H])C([H])([H])C([H])([H])1 M END